SCHEMBL4043849

SCHEMBL4043849

Cc1cccc(C)c1-c1cc(NCCN(C)C)nc2c1nc(N)c1cncn12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.43
PIM1 P11309 5/20 0.36
FGFR1 P11362 1/20 0.35
PIK3CD O00329 1/20 0.35
SRC P12931 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PIM2 Q9P1W9 3/20 0.34
PIM3 Q86V86 2/20 0.34
RET P07949 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4042263 0.94 LCK (0.47) LCKPIM1FGFR1SRC
SCHEMBL4038945 0.83 LCK (0.50) LCK
SCHEMBL4042434 0.82 LCK (0.41) LCKFGFR1
SCHEMBL4043255 0.80 NOS1 (0.40) LCKFGFR1PIK3CD
SCHEMBL7979958 0.79 LCK (0.56) LCK
SCHEMBL4036111 0.77 LCK (0.42) LCKFGFR1SRC
SCHEMBL4038830 0.77 LCK (0.49) LCKFGFR1
SCHEMBL4041190 0.77 LCK (0.51) LCKFGFR1SRC
SCHEMBL4044486 0.77 LCK (0.38) LCK
SCHEMBL4037168 0.76 MEN1 (0.44) LCKFGFR1PIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO claimed